indomethacin

Ligand id: 1909

Name: indomethacin

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 66.84
Molecular weight 357.08
XLogP 3.76
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Selectivity at GPCRs
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Target Sp. Type Action Affinity Units Concentration range (M) Reference
DP2 receptor Hs Agonist Full agonist 6.1 – 7.7 pKi - 8,10
pKi 6.1 – 7.7 [8,10]
DP2 receptor Mm Agonist Full agonist 5.7 – 6.0 pKi - 2-3
pKi 5.7 – 6.0 [2-3]
Selectivity at nuclear hormone receptors
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Target Sp. Type Action Affinity Units Concentration range (M) Reference
Peroxisome proliferator-activated receptor-γ Hs Agonist Partial agonist 7.4 pKd - 1,5
pKd 7.4 [1,5]
Selectivity at enzymes
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Target Sp. Type Action Affinity Units Concentration range (M) Reference
COX-1 Hs Inhibitor Inhibition 6.6 pIC50 - 4
pIC50 6.6 (IC50 2.6x10-7 M) [4]
COX-2 Hs Inhibitor Inhibition 5.6 pIC50 - 4
pIC50 5.6 (IC50 2.63x10-6 M) [4]
Selectivity at transporters
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Target Sp. Type Action Affinity Units Concentration range (M) Reference
Proton-coupled folate transporter Hs Inhibitor Inhibition 3.7 pIC50 - 7
pIC50 3.7 (IC50 2x10-4 M) [7]
Additional information and targets (data relate to human unless otherwise stated)
Description Data Reference
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